![2-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-(3-nitrophenyl)methyl]propanedinitrile structure](/static/products/896/89607-51-2.png)
2-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-(3-nitrophenyl)methyl]propanedinitrile
TL;DR: 2-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-(3-nitrophenyl)methyl]propanedinitrile (CAS 89607-51-2) is a chemical compound with molecular formula C14H11N5O3 and molecular weight 297.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-(3-nitrophenyl)methyl]propanedinitrile
Also Known As: 2-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-(3-nitrophenyl)methyl]propanedinitrile, 2-((5-hydroxy-3-methyl-1H-pyrazol-4-yl){3-nitrophenyl}methyl)malononitrile, [(3-methyl-5-oxo(2-pyrazolin-4-yl))(3-nitrophenyl)methyl]methane-1,1-dicarboni trile, [(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)(3-nitrophenyl)methyl]propanedinitrile, 2-((3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)(3-nitrophenyl)methyl)malononitrile
| Molecular Formula | C14H11N5O3 |
|---|---|
| Molecular Weight | 297.09 g/mol |
| LogP | 1.46366 |
| Topological Polar Surface Area | 132.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 297.08618 |
| Heavy Atoms | 22 |
| Complexity | 729.58057 |
Chemical Identifiers
| CAS Number | 89607-51-2 |
|---|---|
| SMILES | CC1=NNC(=O)C1C(C2=CC(=CC=C2)[N+](=O)[O-])C(C#N)C#N |
Product Overview
2-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-(3-nitrophenyl)methyl]propanedinitrile (CAS 89607-51-2), with molecular formula C14H11N5O3 and molecular weight 297.09 g/mol. IUPAC: 2-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-(3-nitrophenyl)methyl]propanedinitrile.
Chemical Property Profile of 2-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-(3-nitrophenyl)methyl]propanedinitrile
Property Insights of 2-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-(3-nitrophenyl)methyl]propanedinitrile
The XLogP value of 1.46366 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-(3-nitrophenyl)methyl]propanedinitrile. The TPSA of 132.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-(3-nitrophenyl)methyl]propanedinitrile. Following Lipinski's Rule of Five, 2-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-(3-nitrophenyl)methyl]propanedinitrile has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-(3-nitrophenyl)methyl]propanedinitrile?
The CAS number of 2-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-(3-nitrophenyl)methyl]propanedinitrile is 89607-51-2.
What is the molecular formula of 2-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-(3-nitrophenyl)methyl]propanedinitrile?
The molecular formula of 2-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-(3-nitrophenyl)methyl]propanedinitrile is C14H11N5O3.
What is the molecular weight of 2-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-(3-nitrophenyl)methyl]propanedinitrile?
The molecular weight of 2-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-(3-nitrophenyl)methyl]propanedinitrile is 297.09 g/mol.
Where can I buy 2-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-(3-nitrophenyl)methyl]propanedinitrile?
You can request a quote for 2-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-(3-nitrophenyl)methyl]propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-(3-nitrophenyl)methyl]propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-(3-nitrophenyl)methyl]propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.